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首页> 外文期刊>Journal of chromatography, A: Including electrophoresis and other separation methods >A strategy for identification and structural characterization of oplopane- and bisabolane-type sesquiterpenoids from Tussilago farfara L. by multiple scan modes of mass spectrometry
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A strategy for identification and structural characterization of oplopane- and bisabolane-type sesquiterpenoids from Tussilago farfara L. by multiple scan modes of mass spectrometry

机译：来自杜鹃渣Farfara L的渗透蛋白和Bisabolane型倍二萜类化合物鉴定和结构表征的策略。通过多种扫描模式的质谱法

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摘要

A liquid chromatography-electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS)-based dereplicative method was developed for identifying oplopane- and bisabolane-type sesquiterpenoids from buds of Tussilago farfara L. The analysis of these chemical analogues, sesquiterpene esters, is challenging by MS-based nontargeted metabolomic approaches because of their in-source fragmentation and structural diversity. To profile these sesquiterpenoids, four diagnostic ions (m/z 215.143, 217.158, 229.123, and 231.138) were suggested in the positive ion mode and the developed method utilized two sequential MS/MS scan modes to identify common skeletons and investigate the fragmentation patterns of their parent molecules. Precursor ion scan by triple quadrupole MS/MS provided the parent molecular ions from their diagnostic ions, and product ion scan by quadrupole time-of-flight MS/MS confirmed their fragmentation behaviors. Under the optimized UHPLC-MS/MS method, 74 sesquiterpenoids were characterized from the Farfarae Flos and 11 compounds were isolated for the method validation. Among those compounds, three sesquiterpenoids were newly separated from the Farfarae Flos. Furthermore, the diagnostic ions and the MS/MS fragment behaviors were applied to the accurate quantification of the 8 isolated sesquiterpenoids. Therefore, the developed LC-MS/MS-based method highlighted the chemical composition of the Farfarae Flos and could be extended to the screening and quantification of other sesquiterpene esters. (C) 2019 Elsevier B.V. All rights reserved.
机译：液相色谱 - 电喷雾电离串联质谱（LC-ESI-MS / MS）基础的疏忽术语，用于鉴定来自Tussilago Farfara L的芽的渗透蛋白和Bisabolane-型均质萜类萜类化合物。这些化学类似物的分析，索辛烯酯，由于其源自碎片和结构多样性，基于MS的非标准的代谢组成方法是具有挑战性的。为了简化这些Sesquiterpenoids，在正离子模式下提出了四个诊断离子（M / Z 215.143,217.158,229.123和231.138），并且开发方法使用了两个顺序MS / MS扫描模式来识别常见的骨架并研究碎片模式他们的父母分子。前体离子扫描通过三重四极杆MS / MS提供母体分子离子的诊断离子，并且通过四极杆飞行时间MS / MS的产物离子扫描证实了它们的碎片行为。在优化的UHPLC-MS / MS方法下，74个Sesquiterpenoids从嗜酸盐葡萄球菌中表征，分离出11种化合物，用于该方法验证。在这些化合物中，将三个倍半萜类化合物与Farfarae Flos新分离出来。此外，将诊断离子和MS / MS片段行为应用于8分离的倍二萜类化合物的准确定量。因此，所开发的LC-MS / MS基方法突出了Farfarae Flos的化学成分，并且可以扩展到其他筛选酯的筛选和定量。 （c）2019 Elsevier B.v.保留所有权利。

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